#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1spy s ASP 2 N 0.00 -0.86 0.00 7.83 2.15 -1.26 -5.17 116.67 119.36 1spy s ASP 2 Ca 0.00 1.28 0.00 0.00 0.43 0.00 0.00 52.55 54.26 1spy s ASP 2 Cb 0.00 1.67 0.00 0.00 -0.30 0.00 0.00 42.92 44.29 1spy s ASP 2 CO 0.00 -0.19 0.00 -0.90 -0.17 0.00 0.00 175.17 173.91 1spy n ASP 3 N 4.64 1.06 -0.07 -0.34 5.68 -1.26 -5.06 116.55 121.20 1spy n ASP 3 Ca -0.16 -0.78 -0.06 0.00 -0.50 0.00 0.00 54.79 53.29 1spy n ASP 3 Cb 0.55 0.00 -0.13 0.00 -1.14 0.00 0.00 41.12 40.39 1spy n ASP 3 CO 0.00 0.00 0.00 2.30 -1.33 0.00 0.00 177.20 178.17 1spy n ILE 4 N -0.37 1.03 0.26 2.12 -5.35 -1.26 -4.35 119.36 111.44 1spy n ILE 4 Ca 0.00 -0.68 0.11 0.00 -0.27 0.00 0.00 62.75 61.91 1spy n ILE 4 Cb 0.00 -0.48 0.71 0.00 -1.74 0.00 0.00 39.64 38.13 1spy n ILE 4 CO 0.00 0.00 0.00 1.88 -1.76 0.00 0.00 176.55 176.67 1spy h TYR 5 N 0.00 0.00 -0.64 4.28 0.05 -2.02 -2.37 116.97 116.27 1spy h TYR 5 Ca -0.41 0.00 0.19 0.00 0.05 0.00 0.00 58.73 58.56 1spy h TYR 5 Cb 1.90 0.00 -0.03 0.00 1.01 0.00 0.00 36.73 39.62 1spy h TYR 5 CO 0.00 0.11 0.78 -0.22 -1.05 0.00 0.00 178.16 177.78 1spy h LYS 6 N 0.00 0.00 0.00 4.88 1.63 -2.00 2.04 116.57 123.12 1spy h LYS 6 Ca -0.00 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.80 1spy h LYS 6 Cb 0.26 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.89 1spy h LYS 6 CO 0.01 0.00 0.00 0.00 -3.45 0.00 0.00 179.45 176.01 1spy h ALA 7 N 1.05 1.00 -0.52 5.00 0.00 -1.73 -3.09 119.26 120.97 1spy h ALA 7 Ca 0.31 0.00 0.04 0.00 0.00 0.00 0.00 54.91 55.26 1spy h ALA 7 Cb 1.86 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 19.60 1spy h ALA 7 CO -0.00 0.00 0.26 0.00 0.00 0.00 0.00 179.25 179.51 1spy h ALA 8 N 2.34 0.66 0.00 0.00 0.00 0.31 -2.62 119.26 119.95 1spy h ALA 8 Ca 0.00 0.02 -0.15 0.00 0.00 0.00 0.00 54.91 54.78 1spy h ALA 8 Cb 0.64 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.33 1spy h ALA 8 CO 0.00 -0.08 -1.15 0.28 0.00 0.00 0.00 179.25 178.30 1spy h VAL 9 N 0.51 0.62 -0.84 0.00 2.07 -1.70 -3.33 116.25 113.58 1spy h VAL 9 Ca 0.23 -2.07 0.24 0.00 0.82 0.00 0.00 66.70 65.92 1spy h VAL 9 Cb 0.13 2.15 -0.03 0.00 -1.52 0.00 0.00 31.29 32.02 1spy h VAL 9 CO -0.16 0.35 0.64 -0.08 0.02 0.00 0.00 177.57 178.35 1spy h GLU 10 N 0.00 0.00 0.13 1.57 4.81 -1.38 0.12 114.58 119.84 1spy h GLU 10 Ca -0.11 0.00 -0.29 0.00 -0.13 0.00 0.00 59.36 58.83 1spy h GLU 10 Cb 1.53 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.91 1spy h GLU 10 CO 0.05 0.00 -1.35 1.96 -0.73 0.00 0.00 179.01 178.94 1spy h GLN 11 N 0.00 0.28 0.00 1.92 7.50 -1.66 -3.46 115.11 119.69 1spy h GLN 11 Ca 0.40 -0.48 -0.39 0.00 0.50 0.00 0.00 58.65 58.68 1spy h GLN 11 Cb 1.68 0.18 0.20 0.00 0.05 0.00 0.00 27.48 29.59 1spy h GLN 11 CO -0.00 1.20 0.09 1.28 -1.50 0.00 0.00 178.83 179.90 1spy n LEU 12 N -3.52 0.00 -4.63 1.46 4.77 0.42 -5.08 117.00 110.43 1spy n LEU 12 Ca -0.12 -1.13 -0.29 0.00 -0.03 0.00 0.00 56.01 54.45 1spy n LEU 12 Cb 1.04 -1.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.05 1spy n LEU 12 CO 0.53 -2.22 -0.23 0.42 -1.33 0.00 0.00 177.39 174.57 1spy s THR 13 N -2.89 0.95 0.28 -5.08 -4.23 -1.26 -5.02 115.64 98.39 1spy s THR 13 Ca 0.70 -2.00 -0.03 0.00 -1.18 0.00 0.00 61.69 59.18 1spy s THR 13 Cb -0.07 -2.32 0.26 0.00 1.34 0.00 0.00 72.50 71.71 1spy s THR 13 CO 0.54 0.00 1.95 -0.08 -0.54 0.00 0.00 174.62 176.50 1spy h GLU 14 N 1.61 1.17 -0.52 3.99 4.81 -1.98 -1.96 114.58 121.70 1spy h GLU 14 Ca -0.40 -0.07 0.02 0.00 -0.13 0.00 0.00 59.36 58.78 1spy h GLU 14 Cb 1.29 -0.26 -0.03 0.00 0.63 0.00 0.00 28.75 30.37 1spy h GLU 14 CO 0.66 0.77 0.33 1.49 -0.73 0.00 0.00 179.01 181.54 1spy h GLU 15 N 1.20 0.64 -0.34 1.92 4.81 -2.01 -2.68 114.58 118.13 1spy h GLU 15 Ca 0.33 -0.04 -0.05 0.00 -0.13 0.00 0.00 59.36 59.48 1spy h GLU 15 Cb -0.13 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 29.09 1spy h GLU 15 CO -0.07 0.42 0.04 1.96 -0.73 0.00 0.00 179.01 180.63 1spy h GLN 16 N 0.66 0.58 -0.78 1.92 1.08 -1.84 -2.41 115.11 114.32 1spy h GLN 16 Ca 0.20 -0.16 0.17 0.00 -1.45 0.00 0.00 58.65 57.41 1spy h GLN 16 Cb -0.02 -0.06 -0.11 0.00 -0.05 0.00 0.00 27.48 27.24 1spy h GLN 16 CO -0.07 0.67 0.25 0.87 -0.95 0.00 0.00 178.83 179.60 1spy h LYS 17 N 0.40 0.33 -0.23 1.46 1.57 -1.06 0.13 116.57 119.17 1spy h LYS 17 Ca 0.10 -0.02 -0.14 0.00 -1.87 0.00 0.00 60.65 58.72 1spy h LYS 17 Cb 0.39 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.61 1spy h LYS 17 CO 0.01 0.22 -0.43 -0.91 -0.57 0.00 0.00 179.45 177.77 1spy h ASN 18 N 0.34 0.60 -0.00 0.86 2.35 -1.32 -2.40 115.58 116.00 1spy h ASN 18 Ca 0.45 -0.27 -0.00 0.00 -0.55 0.00 0.00 56.30 55.92 1spy h ASN 18 Cb 0.77 -0.17 -0.00 0.00 0.05 0.00 0.00 38.32 38.97 1spy h ASN 18 CO -0.49 0.95 0.00 -0.08 -1.65 0.00 0.00 177.43 176.16 1spy h GLU 19 N 0.45 0.01 -0.47 0.81 4.81 -0.32 -2.58 114.58 117.30 1spy h GLU 19 Ca 0.03 -0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 59.22 1spy h GLU 19 Cb 0.93 -0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.29 1spy h GLU 19 CO 0.08 0.17 0.13 0.74 -0.73 0.00 0.00 179.01 179.40 1spy h PHE 20 N -0.16 0.71 -0.14 0.92 0.04 -1.11 -2.90 116.94 114.31 1spy h PHE 20 Ca 0.00 -0.05 0.01 0.00 2.80 0.00 0.00 57.97 60.73 1spy h PHE 20 Cb 0.17 -0.21 -0.01 0.00 2.20 0.00 0.00 35.95 38.09 1spy h PHE 20 CO -0.02 0.60 0.05 -0.22 -0.60 0.00 0.00 178.31 178.12 1spy h LYS 21 N 0.68 0.12 0.00 1.51 3.64 -1.19 -2.51 116.57 118.82 1spy h LYS 21 Ca 0.16 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.53 1spy h LYS 21 Cb 0.23 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.03 1spy h LYS 21 CO -0.01 0.08 0.00 0.00 -2.27 0.00 0.00 179.45 177.25 1spy n ALA 22 N -2.18 -0.21 -0.33 5.00 0.00 -0.99 -1.51 120.51 120.28 1spy n ALA 22 Ca -0.04 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.36 1spy n ALA 22 Cb 0.05 0.25 0.01 0.00 0.00 0.00 0.00 19.45 19.76 1spy n ALA 22 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1spy h ALA 23 N -1.53 -0.02 -0.28 0.00 0.00 -1.58 -0.96 119.26 114.90 1spy h ALA 23 Ca 0.00 0.22 0.04 0.00 0.00 0.00 0.00 54.91 55.17 1spy h ALA 23 Cb 0.00 1.01 -0.08 0.00 0.00 0.00 0.00 17.79 18.72 1spy h ALA 23 CO 0.00 -0.70 -0.52 0.35 0.00 0.00 0.00 179.25 178.38 1spy h PHE 24 N -0.06 -1.57 -0.21 0.00 3.57 -1.10 0.27 116.94 117.85 1spy h PHE 24 Ca 0.29 0.07 0.06 0.00 3.53 0.00 0.00 57.97 61.91 1spy h PHE 24 Cb 0.56 0.72 -0.01 0.00 2.79 0.00 0.00 35.95 40.02 1spy h PHE 24 CO -0.83 -0.51 0.34 -0.44 -2.23 0.00 0.00 178.31 174.64 1spy h ASP 25 N -0.47 0.00 0.00 0.41 5.19 -0.10 0.15 116.42 121.60 1spy h ASP 25 Ca 0.07 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.48 1spy h ASP 25 Cb 0.63 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.14 1spy h ASP 25 CO -0.52 0.00 0.00 -0.38 -3.12 0.00 0.00 179.24 175.22 1spy n ILE 26 N -3.42 0.00 -2.43 0.35 5.41 0.94 -3.11 119.36 117.11 1spy n ILE 26 Ca 0.02 0.00 0.04 0.00 1.00 0.00 0.00 62.75 63.82 1spy n ILE 26 Cb 0.45 -0.48 0.03 0.00 -0.71 0.00 0.00 39.64 38.94 1spy n ILE 26 CO 0.00 0.00 0.00 0.49 0.00 0.00 0.00 176.55 177.04 1spy n PHE 27 N -0.85 0.00 -1.03 1.39 3.01 0.51 -4.84 117.46 115.65 1spy n PHE 27 Ca 0.13 -0.57 -0.11 0.00 1.01 0.00 0.00 57.45 57.90 1spy n PHE 27 Cb 0.06 -0.16 0.26 0.00 -0.01 0.00 0.00 39.48 39.63 1spy n PHE 27 CO 0.00 0.00 0.00 0.28 1.01 0.00 0.00 176.76 178.05 1spy n VAL 28 N 0.37 2.95 1.28 -4.37 0.31 -1.18 -4.03 118.33 113.67 1spy n VAL 28 Ca 0.07 -1.66 0.11 0.00 -0.01 0.00 0.00 64.34 62.85 1spy n VAL 28 Cb 1.11 -0.41 0.62 0.00 -0.91 0.00 0.00 33.84 34.25 1spy n VAL 28 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1spy n LEU 29 N -0.42 0.00 -0.05 7.52 -0.00 -1.26 -3.69 117.00 119.10 1spy n LEU 29 Ca 0.46 0.04 -0.03 0.00 -0.00 0.00 0.00 56.01 56.48 1spy n LEU 29 Cb 1.45 -0.04 -0.01 0.00 -0.00 0.00 0.00 43.42 44.82 1spy n LEU 29 CO 0.48 -0.01 -0.22 1.23 -0.00 0.00 0.00 177.39 178.87 1spy h GLY 30 N 3.35 0.00 0.00 1.47 0.00 -1.77 -3.49 103.07 102.62 1spy h GLY 30 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1spy h GLY 30 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.54 1spy n ALA 31 N -3.15 0.00 0.00 3.60 0.00 -1.15 -5.01 120.51 114.80 1spy n ALA 31 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.39 1spy n ALA 31 Cb 0.17 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.62 1spy n ALA 31 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1spy n GLU 32 N -0.41 3.90 -1.19 0.00 1.02 -1.26 -4.74 120.64 117.95 1spy n GLU 32 Ca 0.00 0.00 -0.28 0.00 -0.02 0.00 0.00 57.16 56.86 1spy n GLU 32 Cb 0.00 -0.30 0.05 0.00 -0.02 0.00 0.00 31.44 31.17 1spy n GLU 32 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 1spy n ASP 33 N -0.58 7.15 -2.28 1.62 -0.08 -1.26 -4.78 116.55 116.34 1spy n ASP 33 Ca 0.00 -3.47 -0.15 0.00 -1.51 0.00 0.00 54.79 49.65 1spy n ASP 33 Cb 0.00 -1.03 0.04 0.00 2.34 0.00 0.00 41.12 42.47 1spy n ASP 33 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1spy n GLY 34 N -0.30 -0.10 3.35 0.27 0.00 -1.26 -4.87 105.19 102.27 1spy n GLY 34 Ca 0.49 -0.12 -0.30 0.00 0.00 0.00 0.00 46.02 46.08 1spy n GLY 34 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1spy s ILE 36 N -0.83 2.76 0.22 0.00 -4.36 -0.68 -2.92 121.20 115.40 1spy s ILE 36 Ca 0.12 -1.57 -0.25 0.00 -0.26 0.00 0.00 60.65 58.69 1spy s ILE 36 Cb -0.10 -3.01 -0.09 0.00 1.25 0.00 0.00 42.46 40.52 1spy s ILE 36 CO 0.02 -0.08 0.82 -0.55 0.24 0.00 0.00 174.94 175.40 1spy s SER 37 N -3.95 7.36 0.65 4.36 0.15 -1.26 -1.96 113.70 119.05 1spy s SER 37 Ca 0.42 1.69 0.29 0.00 0.70 0.00 0.00 55.95 59.05 1spy s SER 37 Cb -0.01 -2.52 1.59 0.00 -1.71 0.00 0.00 66.02 63.38 1spy s SER 37 CO 0.24 0.11 1.92 0.71 1.20 0.00 0.00 173.24 177.42 1spy h THR 38 N 3.04 0.09 -0.00 6.45 1.35 -1.21 0.82 112.91 123.43 1spy h THR 38 Ca -0.47 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.39 1spy h THR 38 Cb 1.20 0.66 0.00 0.00 -1.73 0.00 0.00 68.15 68.28 1spy h THR 38 CO 0.66 0.00 -0.05 0.29 -0.25 0.00 0.00 175.52 176.17 1spy n LYS 39 N -3.07 0.41 -0.10 4.72 4.76 -1.26 -3.58 118.16 120.03 1spy n LYS 39 Ca 0.00 -0.06 -0.13 0.00 -2.87 0.00 0.00 58.31 55.26 1spy n LYS 39 Cb 0.43 -1.50 -0.15 0.00 -1.84 0.00 0.00 35.03 31.98 1spy n LYS 39 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 1spy n GLU 40 N -1.24 0.68 0.13 1.97 1.02 0.28 -4.22 120.64 119.25 1spy n GLU 40 Ca 0.13 0.07 0.19 0.00 -0.02 0.00 0.00 57.16 57.52 1spy n GLU 40 Cb 0.27 -1.55 0.66 0.00 -0.02 0.00 0.00 31.44 30.80 1spy n GLU 40 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 1spy h LEU 41 N 0.00 0.00 0.07 -4.62 6.46 -1.58 -2.33 115.31 113.31 1spy h LEU 41 Ca -0.54 0.00 -0.00 0.00 -0.12 0.00 0.00 57.88 57.22 1spy h LEU 41 Cb 2.13 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 42.06 1spy h LEU 41 CO 0.00 0.00 -0.03 1.23 -0.62 0.00 0.00 178.44 179.02 1spy h GLY 42 N 0.00 -0.11 0.50 3.75 0.00 -1.75 0.23 103.07 105.69 1spy h GLY 42 Ca 0.17 0.04 0.18 0.00 0.00 0.00 0.00 47.33 47.72 1spy h GLY 42 CO -0.00 -0.04 0.55 0.50 0.00 0.00 0.00 176.54 177.55 1spy h LYS 43 N -0.09 0.39 -0.11 4.80 1.57 -1.70 0.21 116.57 121.63 1spy h LYS 43 Ca -0.01 -0.02 -0.09 0.00 -1.87 0.00 0.00 60.65 58.66 1spy h LYS 43 Cb 0.07 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.28 1spy h LYS 43 CO 0.01 0.26 -0.34 0.28 -0.57 0.00 0.00 179.45 179.09 1spy h VAL 44 N 0.40 1.28 -0.37 0.50 2.07 -1.24 -1.10 116.25 117.79 1spy h VAL 44 Ca 0.42 -1.34 -0.15 0.00 0.82 0.00 0.00 66.70 66.45 1spy h VAL 44 Cb 1.02 1.58 -0.01 0.00 -1.52 0.00 0.00 31.29 32.36 1spy h VAL 44 CO -0.14 0.40 -0.35 0.24 0.02 0.00 0.00 177.57 177.74 1spy h MET 45 N 0.19 0.85 0.00 1.57 2.86 0.27 -2.89 114.93 117.78 1spy h MET 45 Ca 0.02 -0.42 0.00 0.00 -2.06 0.00 0.00 59.70 57.24 1spy h MET 45 Cb 0.71 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.37 1spy h MET 45 CO 0.05 1.06 -0.03 0.07 1.06 0.00 0.00 176.91 179.12 1spy h ARG 46 N 0.70 0.00 0.00 1.72 0.11 -1.26 -2.83 114.38 112.82 1spy h ARG 46 Ca 0.07 0.00 -0.08 0.00 0.10 0.00 0.00 59.98 60.07 1spy h ARG 46 Cb 0.91 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.98 1spy h ARG 46 CO 0.08 0.00 -0.36 0.52 0.10 0.00 0.00 179.97 180.32 1spy h MET 47 N 0.00 0.00 -0.01 0.08 2.86 -0.99 -2.77 114.93 114.11 1spy h MET 47 Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1spy h MET 47 Cb 0.92 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.58 1spy h MET 47 CO 0.00 0.36 -0.60 1.28 1.06 0.00 0.00 176.91 179.00 1spy n LEU 48 N -3.70 1.21 0.00 1.22 4.77 -1.21 -4.97 117.00 114.32 1spy n LEU 48 Ca -0.01 -0.43 0.00 0.00 -0.03 0.00 0.00 56.01 55.54 1spy n LEU 48 Cb 0.45 -0.07 0.00 0.00 -2.33 0.00 0.00 43.42 41.47 1spy n LEU 48 CO 0.37 0.25 0.00 0.61 -1.33 0.00 0.00 177.39 177.29 1spy n GLY 49 N 1.45 3.46 3.38 -0.72 0.00 -1.05 -5.09 105.19 106.63 1spy n GLY 49 Ca 0.07 -0.97 -0.40 0.00 0.00 0.00 0.00 46.02 44.72 1spy n GLY 49 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1spy n GLN 50 N 0.00 0.32 -2.85 1.61 3.00 -1.07 -4.77 117.38 113.62 1spy n GLN 50 Ca 0.00 0.12 -0.11 0.00 -0.01 0.00 0.00 57.00 57.00 1spy n GLN 50 Cb 0.00 -1.37 0.04 0.00 0.00 0.00 0.00 30.24 28.91 1spy n GLN 50 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.06 177.33 1spy n ASN 51 N 1.47 -0.37 -2.47 1.08 0.23 -1.26 -2.94 115.26 111.01 1spy n ASN 51 Ca 0.10 -3.00 0.00 0.00 -0.53 0.00 0.00 54.58 51.15 1spy n ASN 51 Cb 0.45 0.37 0.00 0.00 -2.08 0.00 0.00 39.78 38.52 1spy n ASN 51 CO 0.00 0.00 0.00 -0.81 -0.93 0.00 0.00 177.26 175.52 1spy n PRO 52 N 0.04 -0.46 -4.07 -0.53 -0.04 -1.26 -5.08 135.00 123.60 1spy n PRO 52 Ca 0.11 0.00 -0.23 0.00 -0.04 0.00 0.00 63.50 63.33 1spy n PRO 52 Cb 0.75 0.00 -0.06 0.00 -0.04 0.00 0.00 33.50 34.14 1spy n PRO 52 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 1spy s THR 53 N -0.87 2.70 0.13 0.52 -4.23 -1.26 -5.04 115.64 107.59 1spy s THR 53 Ca 0.00 -1.68 -0.10 0.00 -1.18 0.00 0.00 61.69 58.74 1spy s THR 53 Cb 0.00 -2.98 -0.13 0.00 1.34 0.00 0.00 72.50 70.74 1spy s THR 53 CO 0.00 -0.10 1.36 1.55 -0.54 0.00 0.00 174.62 176.89 1spy h PRO 54 N 1.47 0.72 -0.90 3.99 0.13 -1.99 -2.92 132.00 132.49 1spy h PRO 54 Ca -0.43 -0.56 0.12 0.00 -0.87 0.00 0.00 66.00 64.27 1spy h PRO 54 Cb 1.25 0.11 -0.09 0.00 0.13 0.00 0.00 31.00 32.40 1spy h PRO 54 CO 0.65 1.17 0.53 1.49 -0.23 0.00 0.00 178.00 181.61 1spy h GLU 55 N 0.50 0.79 -0.14 0.86 4.57 -2.01 -1.13 114.58 118.02 1spy h GLU 55 Ca -0.03 -0.05 -0.21 0.00 -1.18 0.00 0.00 59.36 57.89 1spy h GLU 55 Cb 1.33 -0.18 0.00 0.00 -0.16 0.00 0.00 28.75 29.75 1spy h GLU 55 CO 0.14 0.52 -0.74 0.93 -1.18 0.00 0.00 179.01 178.69 1spy h GLU 56 N 0.81 0.67 -0.75 1.92 4.39 -1.98 -3.20 114.58 116.44 1spy h GLU 56 Ca 0.46 -0.53 0.02 0.00 0.34 0.00 0.00 59.36 59.65 1spy h GLU 56 Cb 0.52 0.11 -0.04 0.00 -0.10 0.00 0.00 28.75 29.24 1spy h GLU 56 CO -0.29 1.15 0.48 -0.07 -1.16 0.00 0.00 179.01 179.12 1spy h LEU 57 N 0.46 0.82 -0.39 1.33 3.38 -1.06 -2.56 115.31 117.29 1spy h LEU 57 Ca -0.04 -0.01 0.08 0.00 0.09 0.00 0.00 57.88 58.00 1spy h LEU 57 Cb 1.35 -0.19 -0.07 0.00 0.09 0.00 0.00 40.66 41.84 1spy h LEU 57 CO 0.14 0.57 -0.05 -0.61 0.09 0.00 0.00 178.44 178.59 1spy h GLN 58 N 0.96 0.04 -0.88 1.13 5.75 -1.25 -0.98 115.11 119.89 1spy h GLN 58 Ca 0.29 -0.00 0.24 0.00 -0.15 0.00 0.00 58.65 59.02 1spy h GLN 58 Cb -0.04 -0.01 -0.14 0.00 1.07 0.00 0.00 27.48 28.36 1spy h GLN 58 CO -0.09 0.03 0.22 1.49 -2.65 0.00 0.00 178.83 177.83 1spy h GLU 59 N 0.05 0.18 0.18 1.69 4.81 -1.50 0.20 114.58 120.19 1spy h GLU 59 Ca 0.19 -0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.40 1spy h GLU 59 Cb 0.28 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 29.62 1spy h GLU 59 CO -0.37 0.12 -0.09 0.52 -0.73 0.00 0.00 179.01 178.47 1spy h MET 60 N 0.19 -0.24 -1.04 1.92 2.86 -1.21 -1.31 114.93 116.11 1spy h MET 60 Ca 0.55 0.02 0.35 0.00 -2.06 0.00 0.00 59.70 58.55 1spy h MET 60 Cb 1.11 0.05 -0.15 0.00 0.06 0.00 0.00 31.60 32.68 1spy h MET 60 CO -0.67 -0.16 0.60 0.82 1.06 0.00 0.00 176.91 178.56 1spy h ILE 61 N -0.31 0.24 0.00 -1.22 2.04 -1.02 2.52 117.51 119.76 1spy h ILE 61 Ca -0.03 -0.09 -0.04 0.00 1.00 0.00 0.00 64.86 65.71 1spy h ILE 61 Cb 0.19 -0.03 -0.01 0.00 -0.74 0.00 0.00 36.82 36.23 1spy h ILE 61 CO 0.04 0.05 -0.17 0.44 0.00 0.00 0.00 178.15 178.51 1spy h ASP 62 N 0.25 0.00 0.00 1.72 3.32 -0.53 0.35 116.42 121.53 1spy h ASP 62 Ca 0.76 0.00 -0.28 0.00 0.02 0.00 0.00 57.03 57.52 1spy h ASP 62 Cb 1.85 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 41.35 1spy h ASP 62 CO -0.60 0.17 -2.07 -0.62 -1.72 0.00 0.00 179.24 174.40 1spy n GLU 63 N -3.31 0.94 0.02 3.56 1.02 0.55 -4.65 120.64 118.77 1spy n GLU 63 Ca 0.00 0.06 -0.22 0.00 -0.02 0.00 0.00 57.16 56.99 1spy n GLU 63 Cb 0.41 -1.38 -0.14 0.00 -0.02 0.00 0.00 31.44 30.30 1spy n GLU 63 CO 0.00 0.00 0.00 -0.24 1.18 0.00 0.00 177.13 178.07 1spy h VAL 64 N 0.00 1.02 -2.56 2.62 3.04 0.34 -3.40 116.25 117.32 1spy h VAL 64 Ca -0.42 -2.42 -0.76 0.00 -1.01 0.00 0.00 66.70 62.09 1spy h VAL 64 Cb 1.78 2.73 -0.21 0.00 -2.01 0.00 0.00 31.29 33.58 1spy h VAL 64 CO -0.03 0.73 1.12 0.47 -1.01 0.00 0.00 177.57 178.85 1spy n ASP 65 N -3.87 5.34 0.20 3.17 8.00 0.11 -4.78 116.55 124.72 1spy n ASP 65 Ca -0.25 -3.02 0.06 0.00 0.71 0.00 0.00 54.79 52.30 1spy n ASP 65 Cb 0.93 -1.50 0.38 0.00 -0.02 0.00 0.00 41.12 40.91 1spy n ASP 65 CO 0.00 0.00 0.00 -0.33 -0.39 0.00 0.00 177.20 176.48 1spy h GLU 66 N 6.85 0.00 0.00 -1.24 4.39 -1.78 -2.65 114.58 120.14 1spy h GLU 66 Ca 0.28 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.98 1spy h GLU 66 Cb 0.85 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.50 1spy h GLU 66 CO 1.20 0.35 0.00 0.22 -1.16 0.00 0.00 179.01 179.62 1spy h ASP 67 N 0.00 0.00 -5.02 1.42 1.82 -1.92 -3.46 116.42 109.26 1spy h ASP 67 Ca -0.00 0.00 -0.27 0.00 -0.39 0.00 0.00 57.03 56.37 1spy h ASP 67 Cb 0.80 0.00 0.14 0.00 0.68 0.00 0.00 39.33 40.95 1spy h ASP 67 CO 0.05 0.00 -0.64 0.61 -1.61 0.00 0.00 179.24 177.64 1spy n GLY 68 N -0.92 -0.24 0.72 -0.78 0.00 -1.00 -4.92 105.19 98.04 1spy n GLY 68 Ca -0.02 0.02 0.10 0.00 0.00 0.00 0.00 46.02 46.12 1spy n GLY 68 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1spy n SER 69 N -2.77 2.48 -2.40 1.61 3.41 -1.26 -4.95 113.62 109.74 1spy n SER 69 Ca -0.23 -1.74 -0.15 0.00 -0.26 0.00 0.00 58.87 56.49 1spy n SER 69 Cb 0.64 0.11 -0.01 0.00 -0.26 0.00 0.00 64.21 64.70 1spy n SER 69 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1spy n GLY 70 N 1.17 -0.44 3.11 5.00 0.00 -1.26 -4.93 105.19 107.84 1spy n GLY 70 Ca 0.11 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.00 1spy n GLY 70 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1spy s THR 71 N -2.72 -0.02 0.24 2.61 -4.23 -1.26 -0.60 115.64 109.66 1spy s THR 71 Ca 0.00 0.06 0.07 0.00 -1.18 0.00 0.00 61.69 60.63 1spy s THR 71 Cb 0.00 -0.37 -0.04 0.00 1.34 0.00 0.00 72.50 73.43 1spy s THR 71 CO 0.00 0.02 0.21 0.68 -0.54 0.00 0.00 174.62 175.00 1spy s VAL 72 N 0.58 4.57 0.44 2.29 -7.23 -0.83 -4.90 120.40 115.33 1spy s VAL 72 Ca -0.04 -1.31 0.03 0.00 -1.81 0.00 0.00 61.98 58.85 1spy s VAL 72 Cb -0.05 -3.46 0.03 0.00 0.56 0.00 0.00 36.38 33.46 1spy s VAL 72 CO -0.03 -0.32 0.28 0.47 -0.31 0.00 0.00 175.10 175.19 1spy n ASP 73 N -1.13 2.54 0.06 4.85 9.92 -1.26 -1.69 116.55 129.84 1spy n ASP 73 Ca -0.08 -2.58 0.08 0.00 -0.53 0.00 0.00 54.79 51.68 1spy n ASP 73 Cb 0.57 0.02 0.37 0.00 -0.64 0.00 0.00 41.12 41.44 1spy n ASP 73 CO 0.00 0.00 0.00 0.33 0.13 0.00 0.00 177.20 177.66 1spy n PHE 74 N -1.47 0.37 0.03 1.24 7.35 -1.25 -1.73 117.46 122.00 1spy n PHE 74 Ca -0.04 0.16 -0.15 0.00 -0.76 0.00 0.00 57.45 56.66 1spy n PHE 74 Cb 0.51 -0.75 -0.14 0.00 0.35 0.00 0.00 39.48 39.45 1spy n PHE 74 CO 0.00 0.00 0.00 0.38 -0.76 0.00 0.00 176.76 176.38 1spy h ASP 75 N 0.00 0.26 0.00 -2.13 3.04 -1.93 -3.30 116.42 112.36 1spy h ASP 75 Ca 0.00 -0.44 -0.06 0.00 -3.24 0.00 0.00 57.03 53.28 1spy h ASP 75 Cb 0.24 -0.08 -0.01 0.00 -1.04 0.00 0.00 39.33 38.44 1spy h ASP 75 CO 0.00 1.38 -0.45 -0.33 -2.04 0.00 0.00 179.24 177.80 1spy h GLU 76 N 0.05 0.00 -0.72 4.15 5.08 -1.84 -3.18 114.58 118.10 1spy h GLU 76 Ca -0.28 0.00 0.14 0.00 -1.00 0.00 0.00 59.36 58.22 1spy h GLU 76 Cb 2.01 0.00 -0.14 0.00 0.50 0.00 0.00 28.75 31.12 1spy h GLU 76 CO 0.12 0.54 -0.19 0.35 -1.00 0.00 0.00 179.01 178.82 1spy h PHE 77 N -1.00 -0.43 -0.39 4.33 3.57 -1.55 1.31 116.94 122.78 1spy h PHE 77 Ca -0.09 0.07 0.00 0.00 3.53 0.00 0.00 57.97 61.47 1spy h PHE 77 Cb 0.74 0.30 -0.02 0.00 2.79 0.00 0.00 35.95 39.76 1spy h PHE 77 CO 0.05 -0.32 0.24 1.25 -2.23 0.00 0.00 178.31 177.31 1spy h LEU 78 N -0.01 0.46 0.01 0.59 5.85 -1.73 -2.13 115.31 118.35 1spy h LEU 78 Ca 0.34 -0.04 -0.00 0.00 0.84 0.00 0.00 57.88 59.02 1spy h LEU 78 Cb 0.54 -0.12 0.00 0.00 0.37 0.00 0.00 40.66 41.45 1spy h LEU 78 CO -0.75 0.36 -0.01 0.58 -0.34 0.00 0.00 178.44 178.29 1spy h VAL 79 N 0.52 1.33 -1.05 1.05 2.07 -0.79 -2.15 116.25 117.22 1spy h VAL 79 Ca 0.14 -1.03 0.28 0.00 0.82 0.00 0.00 66.70 66.91 1spy h VAL 79 Cb -0.02 2.02 -0.11 0.00 -1.52 0.00 0.00 31.29 31.66 1spy h VAL 79 CO -0.03 0.26 0.66 0.24 0.02 0.00 0.00 177.57 178.72 1spy h MET 80 N -0.46 0.40 0.02 1.57 2.86 0.16 -0.64 114.93 118.85 1spy h MET 80 Ca -0.00 -0.02 -0.00 0.00 -2.06 0.00 0.00 59.70 57.61 1spy h MET 80 Cb 0.45 -0.09 0.00 0.00 0.06 0.00 0.00 31.60 32.02 1spy h MET 80 CO 0.00 0.26 -0.01 0.52 1.06 0.00 0.00 176.91 178.75 1spy h MET 81 N 0.41 -0.03 0.00 1.72 2.07 -1.26 -3.05 114.93 114.80 1spy h MET 81 Ca 0.65 0.00 0.00 0.00 -2.07 0.00 0.00 59.70 58.28 1spy h MET 81 Cb 1.55 0.01 0.00 0.00 -1.87 0.00 0.00 31.60 31.29 1spy h MET 81 CO -0.39 0.61 0.22 -0.24 1.07 0.00 0.00 176.91 178.18 1spy h VAL 82 N -0.72 0.00 0.13 -2.22 3.04 -0.50 0.21 116.25 116.20 1spy h VAL 82 Ca -0.00 0.00 -0.29 0.00 -1.01 0.00 0.00 66.70 65.40 1spy h VAL 82 Cb 0.66 0.73 0.02 0.00 -2.01 0.00 0.00 31.29 30.69 1spy h VAL 82 CO 0.01 0.00 -1.25 0.03 -1.01 0.00 0.00 177.57 175.35 1spy h ARG 83 N 0.00 0.47 -0.49 4.17 3.08 -1.08 -3.24 114.38 117.30 1spy h ARG 83 Ca 0.00 -0.69 0.08 0.00 0.07 0.00 0.00 59.98 59.45 1spy h ARG 83 Cb 0.45 0.24 -0.03 0.00 0.08 0.00 0.00 29.97 30.71 1spy h ARG 83 CO 0.00 1.31 0.33 0.00 -1.07 0.00 0.00 179.97 180.53 1spy h MET 85 N 0.30 0.32 0.08 0.00 2.86 -1.58 -0.07 114.93 116.83 1spy h MET 85 Ca 0.22 -0.02 -0.33 0.00 -2.06 0.00 0.00 59.70 57.52 1spy h MET 85 Cb 0.48 -0.07 -0.03 0.00 0.06 0.00 0.00 31.60 32.04 1spy h MET 85 CO -0.05 0.21 -1.80 -0.22 1.06 0.00 0.00 176.91 176.11 1spy h LYS 86 N 0.32 0.16 -4.45 1.72 1.63 -1.43 -3.51 116.57 111.03 1spy h LYS 86 Ca 0.59 -0.27 0.00 0.00 -0.85 0.00 0.00 60.65 60.12 1spy h LYS 86 Cb 1.64 0.10 0.00 0.00 -0.60 0.00 0.00 32.23 33.37 1spy h LYS 86 CO -0.26 0.92 -0.98 -3.47 -3.45 0.00 0.00 179.45 172.21 1spy n ASP 87 N -3.31 -9.17 -4.00 4.20 2.03 -0.04 -4.90 116.55 101.36 1spy n ASP 87 Ca -0.23 1.42 -0.32 0.00 0.52 0.00 0.00 54.79 56.18 1spy n ASP 87 Cb 1.05 -5.19 -0.09 0.00 -0.72 0.00 0.00 41.12 36.16 1spy n ASP 87 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 1spy n ASP 88 N 1.97 3.63 0.00 1.67 2.03 -1.26 -5.09 116.55 119.49 1spy n ASP 88 Ca 0.00 -3.18 0.00 0.00 0.52 0.00 0.00 54.79 52.13 1spy n ASP 88 Cb 0.00 -0.90 0.00 0.00 -0.72 0.00 0.00 41.12 39.50 1spy n ASP 88 CO 0.00 0.00 0.00 -0.24 -1.92 0.00 0.00 177.20 175.04